N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide

C17H21NO3S — CID 53219213

IUPACN-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1O
InChIInChI=1S/C17H21NO3S/c1-12-5-6-14(11-16(12)19)13-7-9-15(10-8-13)22(20,21)18-17(2,3)4/h5-11,18-19H,1-4H3
InChIKeyKRRKOPIBEFGLPM-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.44
Rot. Bonds3

About N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide

N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 53219213) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID53219213
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1O
InChIInChI=1S/C17H21NO3S/c1-12-5-6-14(11-16(12)19)13-7-9-15(10-8-13)22(20,21)18-17(2,3)4/h5-11,18-19H,1-4H3
InChIKeyKRRKOPIBEFGLPM-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
CID 53219192
N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 53221142
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
3-[4-(tert-butylsulfamoyl)phenyl]-4-chlorobenzoic acid
CID 53229046
2-hydroxy-4-(4-sulfophenyl)benzenesulfonic acid
CID 57074202
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
2-methyl-5-pyridin-4-ylphenol
CID 46316792

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide (CID 53219213) is N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1O.
What is the InChIKey of N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is KRRKOPIBEFGLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-5-6-14(11-16(12)19)13-7-9-15(10-8-13)22(20,21)18-17(2,3)4/h5-11,18-19H,1-4H3.
What are the key properties of N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 53219213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).